SCHEMBL6989209

SCHEMBL6989209

C[Si](C)(C)CN(CC(F)(F)F)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MBOAT4 Q96T53 3/20 0.34
ENPP1 P22413 4/20 0.33
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PDE2A O00408 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6998670 0.92 MBOAT4 (0.35) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL6990564 0.90 MAPK1 (0.39) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL4810611 0.87 ALDH1A1 (0.33) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL6997752 0.85 ENPP1 (0.37) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL6991919 0.85 MBOAT4 (0.32) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL4819577 0.83 ALDH1A1 (0.35) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL7833025 0.82 MAPK1 (0.44) ALDH1A1KMT2APOLBTSHRENPP1
SCHEMBL6996424 0.81 MBOAT4 (0.38) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL6993025 0.79 LMNA (0.37) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL14573289 0.79 ENPP1 (0.38) ALDH1A1KMT2APOLBTSHRMBOAT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP claimed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
EP-0975635-B1 FUNGICIDAL TRIFLUOROMETHYLALKYLAMINO-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-05-07 EP disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO disclosed